1-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H15N3OS2/c1-10-5-7-12(8-6-10)14(20)11(2)22-16-17-15(18-19-16)13-4-3-9-21-13/h3-9,11H,1-2H3,(H,17,18,19)